N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide

C18H20N2O3 — CID 108890876

IUPACN-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCCOc1ccc(OCNC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O3/c1-2-22-15-7-9-16(10-8-15)23-13-19-18(21)20-12-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyKMSXBBQJDQULJJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.19
Rot. Bonds5

About N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide

N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 108890876) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID108890876
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
SMILESCCOc1ccc(OCNC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O3/c1-2-22-15-7-9-16(10-8-15)23-13-19-18(21)20-12-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyKMSXBBQJDQULJJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108893210
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
CID 87108850
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 113214657
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide (CID 108890876) is N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide is CCOc1ccc(OCNC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is KMSXBBQJDQULJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-22-15-7-9-16(10-8-15)23-13-19-18(21)20-12-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3,(H,19,21).
What are the key properties of N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide?
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108890876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).